N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide

C18H22N4O2S — CID 91843528

IUPACN-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@H]1O
InChIInChI=1S/C18H22N4O2S/c1-25-18-14(6-4-9-20-18)17(24)21-15-7-10-22(12-16(15)23)11-13-5-2-3-8-19-13/h2-6,8-9,15-16,23H,7,10-12H2,1H3,(H,21,24)/t15-,16-/m1/s1
InChIKeyLNHLOOIWZOUGDC-HZPDHXFCSA-N
MW358.47 g/mol
LogP1.56
Rot. Bonds5

About N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide

N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 91843528) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide
PubChem CID91843528
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC NameN-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@H]1O
InChIInChI=1S/C18H22N4O2S/c1-25-18-14(6-4-9-20-18)17(24)21-15-7-10-22(12-16(15)23)11-13-5-2-3-8-19-13/h2-6,8-9,15-16,23H,7,10-12H2,1H3,(H,21,24)/t15-,16-/m1/s1
InChIKeyLNHLOOIWZOUGDC-HZPDHXFCSA-N
XLogP1.56
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 118768565
2-chloro-N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-methylbenzamide
CID 91841222
5-chloro-N-[(3S,4S)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
CID 164642664
3-ethoxy-N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 91834182
4-acetamido-5-chloro-N-[(3S,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-methoxybenzamide
CID 67914575
N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-phenylcyclopentane-1-carboxamide
CID 91832262
N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 91839977
N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-[methyl(methylsulfonyl)amino]propanamide
CID 91837997
N-cyclopropyl-2-methylsulfanylpyridine-3-carboxamide
CID 26736800
2-methylsulfanyl-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]pyridine-3-carboxamide
CID 99875589
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 18143752
2,3-dichloro-N-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]benzamide
CID 166287246

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide (CID 91843528) is N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@H]1O.
What is the InChIKey of N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is LNHLOOIWZOUGDC-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-25-18-14(6-4-9-20-18)17(24)21-15-7-10-22(12-16(15)23)11-13-5-2-3-8-19-13/h2-6,8-9,15-16,23H,7,10-12H2,1H3,(H,21,24)/t15-,16-/m1/s1.
What are the key properties of N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide?
N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 91843528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).